Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRHKHGYRKLGRTSSHRKALLKNLAIALIEHNKIETGIYKAKELRSYIEKLTTVARVGDFNAHRHVFAYLQNKEATHKLVTEIAPKYAQRNGGYTRIQRTTFRRGDASTLATIEFV
4IOA Chain:K ((3-115))
--HGKAGRKLNRNSSARVALARAQATALLREGRIQTTLTKAKELRPFVEQLITTAKGGDLHSRRLVAQDIHDKDVVRKVMDEVAPKYAERPGGYTRILRVGTRRGDGVTMALIEL-
General information:
TITO was launched using:
RESULT:
Template:
4IOA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -43213 for 731 contacts (-59.1/contact) +
2D Compatibility (PS) -12237 + (NN) -7540 + (LL) 500
1D Compatibility (HY) -4800 + (ID) 2650
Total energy: -69940.0 ( -95.68 by residue)
QMean score : 0.588
(partial model without unconserved sides chains):
PDB file :
Tito_4IOA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IOA-query.scw
PDB file :
Tito_Scwrl_4IOA.pdb
: